1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone

C16H15FO — CID 175647045

IUPAC1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1-c1cc(C)ccc1C
InChIInChI=1S/C16H15FO/c1-10-4-5-11(2)15(8-10)14-7-6-13(17)9-16(14)12(3)18/h4-9H,1-3H3
InChIKeyQMINKRREIQDWCF-UHFFFAOYSA-N
MW242.29 g/mol
LogP4.31
Rot. Bonds2

About 1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone

1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone (PubChem CID 175647045) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone
PubChem CID175647045
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1-c1cc(C)ccc1C
InChIInChI=1S/C16H15FO/c1-10-4-5-11(2)15(8-10)14-7-6-13(17)9-16(14)12(3)18/h4-9H,1-3H3
InChIKeyQMINKRREIQDWCF-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-fluoro-2-(2-fluoro-4-methylphenyl)phenyl]ethanone
CID 175647053
1-[5-fluoro-2-(4-methylphenyl)phenyl]ethanone
CID 175647024
1-[5-fluoro-2-(2-fluorophenyl)phenyl]ethanone
CID 22482354
1-[2-(4-fluoro-2-methylphenyl)phenyl]ethanone
CID 54912608
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
1-(2,5-dimethylphenyl)-2-fluoro-4-methylbenzene
CID 138652236
1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone
CID 90250687
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647044
1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647048
1-(5-fluoro-2-phosphanylphenyl)ethanone
CID 145488080
2-acetyl-5-fluorobenzoic acid
CID 117279010

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone (CID 175647045) is 1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone is CC(=O)c1cc(F)ccc1-c1cc(C)ccc1C.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone?
The InChIKey is QMINKRREIQDWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-10-4-5-11(2)15(8-10)14-7-6-13(17)9-16(14)12(3)18/h4-9H,1-3H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone?
1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone has a molecular weight of 242.29 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone is sourced from PubChem (CID 175647045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).